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2-(Chloromethyl)phenylacetic acid

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Name

2-(Chloromethyl)phenylacetic acid

EINECS N/A
CAS No. 95335-46-9 Density 1.277 g/cm3
PSA 37.30000 LogP 2.05250
Solubility N/A Melting Point N/A
Formula C9H9ClO2 Boiling Point 323.754 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 149.601 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 95335-46-9 (2-(Chloromethyl)phenylacetic acid) Hazard Symbols N/A
Synonyms

2-Chloromethylbenzeneaceticacid;2-[2-(Chlorognbvnbvnmethyl)phenyl]acetic acid;2-[2-(Chloromethyl)phenyl]acetic acid;

Article Data 4

2-(Chloromethyl)phenylacetic acid Specification

The 2-(Chloromethyl)phenylacetic acid is an organic compound with the formula C9H9ClO2. The systematic name of this chemical is [2-(chloromethyl)phenyl]acetic acid. With the CAS registry number 95335-46-9, it is also named as 2-(Chloromethyl)phenylaceticacid.

Physical properties about 2-(Chloromethyl)phenylacetic acid are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 47.132 cm3; (14)Molar Volume: 144.572 cm3; (15)Polarizability: 18.685×10-24cm3; (16)Surface Tension: 48.194 dyne/cm; (17)Density: 1.277 g/cm3; (18)Flash Point: 149.601 °C; (19)Enthalpy of Vaporization: 59.721 kJ/mol; (20)Boiling Point: 323.754 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccccc1CC(=O)O
(2)InChI: InChI=1/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: RFYCQJHCAPCSTA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(5)Std. InChIKey: RFYCQJHCAPCSTA-UHFFFAOYSA-N

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